N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[2-(2-methyl-1-imidazolyl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-(2-methylimidazol-1-yl)benzyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=NC=CN1C2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3S/c1-21-27-15-18-30(21)25-12-6-5-11-24(25)20-28-26(31)23-13-16-29(17-14-23)34(32,33)19-7-10-22-8-3-2-4-9-22/h2-6,8-9,11-12,15,18,23H,7,10,13-14,16-17,19-20H2,1H3,(H,28,31)